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Prediction Errors of Molecular Machine Learning Models Lower than Hybrid DFT Error.
Faber FA, Hutchison L, Huang B, Gilmer J, Schoenholz SS, Dahl GE, Vinyals O, Kearnes S, Riley PF, von Lilienfeld OA. Faber FA, et al. Among authors: gilmer j. J Chem Theory Comput. 2017 Nov 14;13(11):5255-5264. doi: 10.1021/acs.jctc.7b00577. Epub 2017 Oct 10. J Chem Theory Comput. 2017. PMID: 28926232
A mobile-optimized artificial intelligence system for gestational age and fetal malpresentation assessment.
Gomes RG, Vwalika B, Lee C, Willis A, Sieniek M, Price JT, Chen C, Kasaro MP, Taylor JA, Stringer EM, McKinney SM, Sindano N, Dahl GE, Goodnight W 3rd, Gilmer J, Chi BH, Lau C, Spitz T, Saensuksopa T, Liu K, Tiyasirichokchai T, Wong J, Pilgrim R, Uddin A, Corrado G, Peng L, Chou K, Tse D, Stringer JSA, Shetty S. Gomes RG, et al. Among authors: gilmer j. Commun Med (Lond). 2022 Oct 11;2:128. doi: 10.1038/s43856-022-00194-5. eCollection 2022. Commun Med (Lond). 2022. PMID: 36249461 Free PMC article.
Best Practices for Foundations in Molecular Simulations [Article v1.0].
Braun E, Gilmer J, Mayes HB, Mobley DL, Monroe JI, Prasad S, Zuckerman DM. Braun E, et al. Among authors: gilmer j. Living J Comput Mol Sci. 2019;1(1):5957. doi: 10.33011/livecoms.1.1.5957. Epub 2018 Nov 29. Living J Comput Mol Sci. 2019. PMID: 31788666 Free PMC article.
Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.
Lückert PL, Gilmer J, Virovets A, Lerner HW, Wagner M. Lückert PL, et al. Among authors: gilmer j. Chem Sci. 2024 Nov 18;16(1):147-155. doi: 10.1039/d4sc06940d. eCollection 2024 Dec 18. Chem Sci. 2024. PMID: 39629489 Free PMC article.
A Target Class Ligandability Evaluation of WD40 Repeat-Containing Proteins.
Ackloo S, Li F, Szewczyk M, Seitova A, Loppnau P, Zeng H, Xu J, Ahmad S, Arnautova YA, Baghaie AJ, Beldar S, Bolotokova A, Centrella PA, Chau I, Clark MA, Cuozzo JW, Dehghani-Tafti S, Disch JS, Dong A, Dumas A, Feng JA, Ghiabi P, Gibson E, Gilmer J, Goldman B, Green SR, Guié MA, Guilinger JP, Harms N, Herasymenko O, Houliston S, Hutchinson A, Kearnes S, Keefe AD, Kimani SW, Kramer T, Kutera M, Kwak HA, Lento C, Li Y, Liu J, Loup J, Machado RAC, Mulhern CJ, Perveen S, Righetto GL, Riley P, Shrestha S, Sigel EA, Silva M, Sintchak MD, Slakman BL, Taylor RD, Thompson J, Torng W, Underkoffler C, von Rechenberg M, Walsh RT, Watson I, Wilson DJ, Wolf E, Yadav M, Yazdi AK, Zhang J, Zhang Y, Santhakumar V, Edwards AM, Barsyte-Lovejoy D, Schapira M, Brown PJ, Halabelian L, Arrowsmith CH. Ackloo S, et al. Among authors: gilmer j. J Med Chem. 2024 Nov 4. doi: 10.1021/acs.jmedchem.4c02010. Online ahead of print. J Med Chem. 2024. PMID: 39495097
105 results